SCHEMBL25513416

SCHEMBL25513416

CN1CC(N2CC(N3CC(N4CCC(C(C)(C)C)CC4)C3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
HSD11B1 P28845 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25477376 0.96 MEN1 (0.34) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL25507216 0.92 MEN1 (0.36) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL24480320 0.83
SCHEMBL24827983 0.82 MEN1 (0.32) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL25467824 0.81 HTR6 (0.32) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL25659233 0.81
SCHEMBL24827973 0.79 CYP2D6 (0.46) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL25518688 0.79 CYP2D6 (0.46) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL107432 0.79 OPRL1 (0.38) MEN1KMT2ACYP2D6KCNH2HRH3
SCHEMBL24185791 0.79 OPRL1 (0.38) MEN1KMT2ACYP2D6KCNH2HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4180427-A1 COMPOUND CAPABLE OF INHIBITING AND DEGRADING ANDROGEN RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL USES THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed